VERALKAMINE N,O,O-TRIACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H49NO5
Molecular Weight	539.7459
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VERALKAMINE N,O,O-TRIACETATE

Structure Search

SMILES

[H][C@@]12C[C@H](OC(C)=O)[C@@](C)([C@H](C)[C@]3([H])CC[C@H](C)CN3C(C)=O)C1=CC[C@@]4([H])[C@@]2([H])CC=C5C[C@H](CC[C@]45C)OC(C)=O

InChI

InChIKey=WSIMJWWRDIDULJ-MYBSUPNISA-N

InChI=1S/C33H49NO5/c1-19-8-13-30(34(18-19)21(3)35)20(2)33(7)29-12-11-28-26(27(29)17-31(33)39-23(5)37)10-9-24-16-25(38-22(4)36)14-15-32(24,28)6/h9,12,19-20,25-28,30-31H,8,10-11,13-18H2,1-7H3/t19-,20+,25-,26-,27-,28-,30-,31-,32-,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C33H49NO5
Molecular Weight	539.7459
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:10:38 GMT 2023` Edited by `admin` on `Sat Dec 16 19:10:38 GMT 2023`
Record UNII	371986TW0N
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

VERALKAMINE N,O,O-TRIACETATE

Common Name

English

3-PIPECOLINE, 1-ACETYL-6-(3.BETA.,16.BETA.-DIHYDROXY-17-METHYL-18-NOR-17.ALPHA.-PREGNA-5,12-DIEN-20.ALPHA.-YL)-, DIACETATE (ESTER), (3S,6S)-

Systematic Name

English

VERALKAMINE N,O,O-TRIACETATE [MI]

Common Name

English

Code System Code Type Description

CAS

17155-32-7

Created by admin on Sat Dec 16 19:10:38 GMT 2023 , Edited by admin on Sat Dec 16 19:10:38 GMT 2023

PRIMARY

FDA UNII

371986TW0N

Created by admin on Sat Dec 16 19:10:38 GMT 2023 , Edited by admin on Sat Dec 16 19:10:38 GMT 2023

PRIMARY

PUBCHEM

91617940

Created by admin on Sat Dec 16 19:10:38 GMT 2023 , Edited by admin on Sat Dec 16 19:10:38 GMT 2023

PRIMARY

MERCK INDEX

m11413

Created by admin on Sat Dec 16 19:10:38 GMT 2023 , Edited by admin on Sat Dec 16 19:10:38 GMT 2023

PRIMARY

Merck Index